[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-indolin-1-ylsulfonylphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-indolin-1-ylsulfonylphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

InChI=1S/C25H26N4O3S/c30-25(28-16-14-27(15-17-28)19-20-8-11-26-12-9-20)22-5-3-6-23(18-22)33(31,32)29-13-10-21-4-1-2-7-24(21)29/h1-9,11-12,18H,10,13-17,19H2/p+1